Hydrochloric Acid → HCID 10297925, compound
Reaction equation
[CH3:40][CH2:41][O:42][CH2:43][CH2:44][OH:45].[Cl:1][c:2]1[c:3]2[cH:4][c:5]3[c:6]([n:7][c:8]2[n:9][cH:10][c:11]1[C:12]#[N:13])[cH:14][c:15]([O:20][CH3:21])[c:16]([O:18][CH3:19])[cH:17]3.[Cl:22][c:23]1[c:24]([NH2:25])[cH:26][c:27]([O:31][CH3:32])[c:28]([Cl:30])[cH:29]1.[ClH:33].[n:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[c:2]1([NH:25][c:24]2[c:23]([Cl:22])[cH:29][c:28]([Cl:30])[c:27]([O:31][CH3:32])[cH:26]2)[c:3]2[cH:4][c:5]3[c:6]([n:7][c:8]2[n:9][cH:10][c:11]1[C:12]#[N:13])[cH:14][c:15]([O:20][CH3:21])[c:16]([O:18][CH3:19])[cH:17]3Participants
6
Sources & evidence
- ORD record
- ord-282b59644223494380a469db53476591
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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